3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione

C19H16N4O3 — CID 47048861

IUPAC3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
SMILESCc1cccc(-c2nc(CN3C(=O)CN(c4ccccc4)C3=O)no2)c1
InChIInChI=1S/C19H16N4O3/c1-13-6-5-7-14(10-13)18-20-16(21-26-18)11-23-17(24)12-22(19(23)25)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3
InChIKeyTYAAGAIKPAHUDD-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.01
Rot. Bonds4

About 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione

3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione (PubChem CID 47048861) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
PubChem CID47048861
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
SMILESCc1cccc(-c2nc(CN3C(=O)CN(c4ccccc4)C3=O)no2)c1
InChIInChI=1S/C19H16N4O3/c1-13-6-5-7-14(10-13)18-20-16(21-26-18)11-23-17(24)12-22(19(23)25)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3
InChIKeyTYAAGAIKPAHUDD-UHFFFAOYSA-N
XLogP3.01
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione (CID 47048861) is 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione is Cc1cccc(-c2nc(CN3C(=O)CN(c4ccccc4)C3=O)no2)c1.
What is the InChIKey of 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione?
The InChIKey is TYAAGAIKPAHUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-13-6-5-7-14(10-13)18-20-16(21-26-18)11-23-17(24)12-22(19(23)25)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3.
What are the key properties of 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione?
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione has a molecular weight of 348.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 47048861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).